SCHEMBL3243117

SCHEMBL3243117

C=COCCc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.52
IDO1 P14902 2/20 0.44
AOC3 Q16853 1/20 0.43
MAOB P27338 4/20 0.40
DPP4 P27487 1/20 0.40
MPO P05164 2/20 0.39
ALOX5 P09917 1/20 0.38
DAO P14920 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2096285 0.80 TAAR1 (0.52) TAAR1IDO1AOC3MAOBMPO
SCHEMBL14877173 0.79 TAAR1 (0.56) TAAR1IDO1AOC3MAOBMPO
SCHEMBL8235305 0.79 TAAR1 (0.56) TAAR1IDO1AOC3MAOBMPO
SCHEMBL28694560 0.79 TAAR1 (0.60) TAAR1IDO1AOC3MAOBMPO
SCHEMBL3243413 0.78 IDO1 (0.47) IDO1MAOBALOX5DAOALDH1A1
SCHEMBL4514414 0.76 CYP1A2 (0.44) HPGDALDH1A1
SCHEMBL7563209 0.75 TAAR1 (0.56) TAAR1IDO1AOC3MAOBMPO
SCHEMBL8526001 0.75 TAAR1 (0.75) TAAR1IDO1AOC3MAOBMPO
SCHEMBL2090266 0.74 TAAR1 (0.50) TAAR1IDO1AOC3MAOBMPO
SCHEMBL7593751 0.73 THRA (0.37) LMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745438-B2 3-(2-acylamino-1-hydroxyethyl)-morpholine derivatives and their use as bace inhibitors ELI LILLY AND COMPANY (US) 2010-06-29 US disclosed
US-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors BACE1, BACE2, APP TAAR1 2077/4885IDO1 1979/4885AOC3 267/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.